Compound Detail
CHEMBL288803
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Basic Information
| ChEMBL ID | CHEMBL288803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKQDNMNJRBVFMC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.42
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | IC50 | 8.24 | 8.225 | 5.7 | 2 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.6 | 7.3167 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 5.7 | nM | 8.24 | Inhibition of [3H]DADLE radioligand binding to rat brain opioid receptor delta 1... | 7739011 |
| Delta-type opioid receptor | IC50 | = | 6.2 | nM | 8.21 | Inhibition of [3H]DADLE radioligand binding to rat brain opioid receptor delta 1... | 7739011 |
| Mu-type opioid receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1. | 7739011 |
| Mu-type opioid receptor | IC50 | = | 50.6 | nM | 7.3 | Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1. | 7739011 |
| Mu-type opioid receptor | IC50 | = | 89.2 | nM | 7.05 | Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1. | 7739011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7739011 | 10.1021/jm00009a013 | Mu-type opioid receptor | 3 |
| 7739011 | 10.1021/jm00009a013 | Delta-type opioid receptor | 3 |
| 7739011 | 10.1021/jm00009a013 | Kappa-type opioid receptor | 3 |
| 7739011 | 10.1021/jm00009a013 | Opioid receptors; mu & delta | 3 |
Data from ChEMBL 36 via Core Engine